USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 544 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 CYS SG : rot 92:sc= 1.37 USER MOD Set 1.2: A 17 CYS SG : rot 80:sc= 1.1 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -179:sc= -4.43! (180deg=-4.59!) USER MOD Single : A 13 THR OG1 : rot 180:sc=6.68e-05 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 1.07 K(o=1.1,f=-0.0027) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.618 K(o=0.62,f=-0.032) USER MOD Single : A 37 ASN : amide:sc= -3.33! K(o=-3.3!,f=0.17) USER MOD Single : A 42 THR OG1 : rot 74:sc= 1.24 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 73:sc= 1.23 USER MOD Single : A 48 ASN : amide:sc= -0.0417 X(o=-0.042,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 1.2 (180deg=1.17) USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 0.933 (180deg=0.192) USER MOD Single : A 66 TYR OH : rot 112:sc= 1.04 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 138:sc= 1.15 (180deg=-1.11) USER MOD ----------------------------------------------------------------- ATOM 34 N GLU A 3 2.880 12.791 5.015 1.00 10.00 N ATOM 35 CA GLU A 3 3.035 12.845 3.573 1.00 10.00 C ATOM 36 C GLU A 3 2.032 11.863 2.992 1.00 10.00 C ATOM 37 O GLU A 3 1.816 10.781 3.536 1.00 10.00 O ATOM 38 CB GLU A 3 4.472 12.552 3.101 1.00 10.00 C ATOM 39 CG GLU A 3 4.778 11.070 2.807 1.00 10.00 C ATOM 40 CD GLU A 3 6.199 10.849 2.317 1.00 10.00 C ATOM 41 OE1 GLU A 3 6.759 11.785 1.709 1.00 10.00 O ATOM 42 OE2 GLU A 3 6.708 9.723 2.499 1.00 10.00 O ATOM 0 HA GLU A 3 2.843 13.858 3.220 1.00 10.00 H new ATOM 0 HB2 GLU A 3 4.666 13.132 2.199 1.00 10.00 H new ATOM 0 HB3 GLU A 3 5.167 12.905 3.863 1.00 10.00 H new ATOM 0 HG2 GLU A 3 4.615 10.484 3.711 1.00 10.00 H new ATOM 0 HG3 GLU A 3 4.078 10.701 2.057 1.00 10.00 H new ATOM 49 N LYS A 4 1.441 12.276 1.880 1.00 10.00 N ATOM 50 CA LYS A 4 0.544 11.495 1.051 1.00 10.00 C ATOM 51 C LYS A 4 1.385 10.786 -0.009 1.00 10.00 C ATOM 52 O LYS A 4 2.401 11.332 -0.432 1.00 10.00 O ATOM 53 CB LYS A 4 -0.426 12.460 0.369 1.00 10.00 C ATOM 54 CG LYS A 4 -1.304 13.236 1.354 1.00 10.00 C ATOM 55 CD LYS A 4 -2.006 14.351 0.573 1.00 10.00 C ATOM 56 CE LYS A 4 -2.925 15.162 1.493 1.00 10.00 C ATOM 57 NZ LYS A 4 -3.515 16.311 0.778 1.00 10.00 N ATOM 0 H LYS A 4 1.585 13.217 1.515 1.00 10.00 H new ATOM 0 HA LYS A 4 -0.010 10.764 1.640 1.00 10.00 H new ATOM 0 HB2 LYS A 4 0.142 13.167 -0.236 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -1.066 11.899 -0.313 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -2.036 12.574 1.817 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -0.699 13.655 2.158 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -1.263 15.009 0.122 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -2.588 13.920 -0.242 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -3.719 14.521 1.875 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -2.360 15.517 2.355 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -4.133 16.842 1.425 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -2.756 16.933 0.435 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -4.073 15.968 -0.030 1.00 10.00 H new ATOM 71 N ALA A 5 0.992 9.592 -0.449 1.00 10.00 N ATOM 72 CA ALA A 5 1.707 8.873 -1.489 1.00 10.00 C ATOM 73 C ALA A 5 0.735 7.909 -2.158 1.00 10.00 C ATOM 74 O ALA A 5 0.038 7.187 -1.446 1.00 10.00 O ATOM 75 CB ALA A 5 2.891 8.139 -0.863 1.00 10.00 C ATOM 0 H ALA A 5 0.172 9.102 -0.093 1.00 10.00 H new ATOM 0 HA ALA A 5 2.098 9.554 -2.245 1.00 10.00 H new ATOM 0 HB1 ALA A 5 3.433 7.596 -1.637 1.00 10.00 H new ATOM 0 HB2 ALA A 5 3.558 8.860 -0.391 1.00 10.00 H new ATOM 0 HB3 ALA A 5 2.528 7.436 -0.114 1.00 10.00 H new ATOM 81 N GLU A 6 0.671 7.879 -3.497 1.00 10.00 N ATOM 82 CA GLU A 6 -0.327 7.101 -4.198 1.00 10.00 C ATOM 83 C GLU A 6 0.434 6.066 -4.997 1.00 10.00 C ATOM 84 O GLU A 6 1.422 6.424 -5.649 1.00 10.00 O ATOM 85 CB GLU A 6 -1.216 7.968 -5.109 1.00 10.00 C ATOM 86 CG GLU A 6 -2.683 7.944 -4.647 1.00 10.00 C ATOM 87 CD GLU A 6 -3.680 8.374 -5.715 1.00 10.00 C ATOM 88 OE1 GLU A 6 -3.245 8.796 -6.809 1.00 10.00 O ATOM 89 OE2 GLU A 6 -4.889 8.161 -5.492 1.00 10.00 O ATOM 0 H GLU A 6 1.308 8.392 -4.107 1.00 10.00 H new ATOM 0 HA GLU A 6 -1.013 6.637 -3.490 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -0.849 8.994 -5.108 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -1.150 7.607 -6.135 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -2.932 6.935 -4.318 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -2.790 8.597 -3.781 1.00 10.00 H new ATOM 96 N PHE A 7 -0.016 4.811 -4.938 1.00 10.00 N ATOM 97 CA PHE A 7 0.582 3.700 -5.645 1.00 10.00 C ATOM 98 C PHE A 7 -0.487 2.962 -6.430 1.00 10.00 C ATOM 99 O PHE A 7 -1.645 2.940 -6.017 1.00 10.00 O ATOM 100 CB PHE A 7 1.228 2.734 -4.656 1.00 10.00 C ATOM 101 CG PHE A 7 1.979 3.365 -3.503 1.00 10.00 C ATOM 102 CD1 PHE A 7 2.857 4.435 -3.738 1.00 10.00 C ATOM 103 CD2 PHE A 7 1.833 2.866 -2.200 1.00 10.00 C ATOM 104 CE1 PHE A 7 3.477 5.092 -2.669 1.00 10.00 C ATOM 105 CE2 PHE A 7 2.522 3.474 -1.142 1.00 10.00 C ATOM 106 CZ PHE A 7 3.287 4.629 -1.359 1.00 10.00 C ATOM 0 H PHE A 7 -0.827 4.543 -4.381 1.00 10.00 H new ATOM 0 HA PHE A 7 1.343 4.085 -6.324 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.449 2.090 -4.247 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.917 2.092 -5.204 1.00 10.00 H new ATOM 0 HD1 PHE A 7 3.055 4.753 -4.751 1.00 10.00 H new ATOM 0 HD2 PHE A 7 1.192 2.017 -2.013 1.00 10.00 H new ATOM 0 HE1 PHE A 7 4.101 5.954 -2.853 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.463 3.049 -0.151 1.00 10.00 H new ATOM 0 HZ PHE A 7 3.726 5.157 -0.525 1.00 10.00 H new ATOM 116 N ASP A 8 -0.064 2.333 -7.523 1.00 10.00 N ATOM 117 CA ASP A 8 -0.877 1.563 -8.448 1.00 10.00 C ATOM 118 C ASP A 8 -0.638 0.103 -8.091 1.00 10.00 C ATOM 119 O ASP A 8 0.523 -0.254 -7.874 1.00 10.00 O ATOM 120 CB ASP A 8 -0.363 1.871 -9.855 1.00 10.00 C ATOM 121 CG ASP A 8 -1.100 1.147 -10.971 1.00 10.00 C ATOM 122 OD1 ASP A 8 -1.359 -0.060 -10.802 1.00 10.00 O ATOM 123 OD2 ASP A 8 -1.341 1.821 -11.995 1.00 10.00 O ATOM 0 H ASP A 8 0.918 2.351 -7.800 1.00 10.00 H new ATOM 0 HA ASP A 8 -1.941 1.793 -8.399 1.00 10.00 H new ATOM 0 HB2 ASP A 8 -0.435 2.945 -10.027 1.00 10.00 H new ATOM 0 HB3 ASP A 8 0.694 1.610 -9.907 1.00 10.00 H new ATOM 128 N ILE A 9 -1.702 -0.690 -7.938 1.00 10.00 N ATOM 129 CA ILE A 9 -1.607 -2.087 -7.524 1.00 10.00 C ATOM 130 C ILE A 9 -2.184 -3.048 -8.570 1.00 10.00 C ATOM 131 O ILE A 9 -3.379 -3.000 -8.857 1.00 10.00 O ATOM 132 CB ILE A 9 -2.305 -2.284 -6.184 1.00 10.00 C ATOM 133 CG1 ILE A 9 -1.989 -1.094 -5.269 1.00 10.00 C ATOM 134 CG2 ILE A 9 -1.819 -3.613 -5.581 1.00 10.00 C ATOM 135 CD1 ILE A 9 -2.400 -1.448 -3.859 1.00 10.00 C ATOM 0 H ILE A 9 -2.659 -0.376 -8.100 1.00 10.00 H new ATOM 0 HA ILE A 9 -0.548 -2.323 -7.422 1.00 10.00 H new ATOM 0 HB ILE A 9 -3.387 -2.329 -6.304 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.925 -0.861 -5.306 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -2.522 -0.205 -5.607 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -2.306 -3.776 -4.619 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -2.067 -4.431 -6.257 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -0.739 -3.575 -5.439 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -2.182 -0.611 -3.195 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -3.469 -1.661 -3.834 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -1.847 -2.327 -3.529 1.00 10.00 H new ATOM 147 N GLU A 10 -1.367 -3.991 -9.050 1.00 10.00 N ATOM 148 CA GLU A 10 -1.758 -4.997 -10.029 1.00 10.00 C ATOM 149 C GLU A 10 -1.896 -6.369 -9.359 1.00 10.00 C ATOM 150 O GLU A 10 -0.920 -6.893 -8.818 1.00 10.00 O ATOM 151 CB GLU A 10 -0.693 -5.097 -11.124 1.00 10.00 C ATOM 152 CG GLU A 10 -0.429 -3.779 -11.862 1.00 10.00 C ATOM 153 CD GLU A 10 0.748 -3.945 -12.817 1.00 10.00 C ATOM 154 OE1 GLU A 10 1.898 -3.813 -12.338 1.00 10.00 O ATOM 155 OE2 GLU A 10 0.487 -4.264 -13.996 1.00 10.00 O ATOM 0 H GLU A 10 -0.393 -4.074 -8.758 1.00 10.00 H new ATOM 0 HA GLU A 10 -2.715 -4.702 -10.460 1.00 10.00 H new ATOM 0 HB2 GLU A 10 0.239 -5.445 -10.679 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -1.001 -5.851 -11.848 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -1.318 -3.478 -12.416 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -0.217 -2.986 -11.144 1.00 10.00 H new ATOM 162 N GLY A 11 -3.086 -6.971 -9.463 1.00 10.00 N ATOM 163 CA GLY A 11 -3.337 -8.377 -9.149 1.00 10.00 C ATOM 164 C GLY A 11 -4.340 -8.592 -8.011 1.00 10.00 C ATOM 165 O GLY A 11 -4.854 -9.696 -7.842 1.00 10.00 O ATOM 0 H GLY A 11 -3.922 -6.478 -9.777 1.00 10.00 H new ATOM 0 HA2 GLY A 11 -3.706 -8.878 -10.044 1.00 10.00 H new ATOM 0 HA3 GLY A 11 -2.393 -8.853 -8.883 1.00 10.00 H new ATOM 169 N MET A 12 -4.642 -7.557 -7.224 1.00 10.00 N ATOM 170 CA MET A 12 -5.563 -7.643 -6.107 1.00 10.00 C ATOM 171 C MET A 12 -7.011 -7.638 -6.607 1.00 10.00 C ATOM 172 O MET A 12 -7.783 -6.730 -6.319 1.00 10.00 O ATOM 173 CB MET A 12 -5.266 -6.473 -5.166 1.00 10.00 C ATOM 174 CG MET A 12 -5.235 -5.135 -5.928 1.00 10.00 C ATOM 175 SD MET A 12 -5.812 -3.697 -5.007 1.00 10.00 S ATOM 176 CE MET A 12 -7.561 -4.121 -4.945 1.00 10.00 C ATOM 0 H MET A 12 -4.244 -6.627 -7.353 1.00 10.00 H new ATOM 0 HA MET A 12 -5.432 -8.578 -5.562 1.00 10.00 H new ATOM 0 HB2 MET A 12 -6.024 -6.431 -4.384 1.00 10.00 H new ATOM 0 HB3 MET A 12 -4.308 -6.635 -4.672 1.00 10.00 H new ATOM 0 HG2 MET A 12 -4.212 -4.948 -6.255 1.00 10.00 H new ATOM 0 HG3 MET A 12 -5.843 -5.236 -6.827 1.00 10.00 H new ATOM 0 HE1 MET A 12 -8.107 -3.336 -4.423 1.00 10.00 H new ATOM 0 HE2 MET A 12 -7.948 -4.219 -5.959 1.00 10.00 H new ATOM 0 HE3 MET A 12 -7.688 -5.065 -4.415 1.00 10.00 H new ATOM 186 N THR A 13 -7.429 -8.669 -7.333 1.00 10.00 N ATOM 187 CA THR A 13 -8.735 -8.721 -7.971 1.00 10.00 C ATOM 188 C THR A 13 -9.816 -9.120 -6.960 1.00 10.00 C ATOM 189 O THR A 13 -10.851 -9.655 -7.354 1.00 10.00 O ATOM 190 CB THR A 13 -8.665 -9.688 -9.167 1.00 10.00 C ATOM 191 OG1 THR A 13 -7.401 -9.572 -9.792 1.00 10.00 O ATOM 192 CG2 THR A 13 -9.731 -9.388 -10.227 1.00 10.00 C ATOM 0 H THR A 13 -6.862 -9.501 -7.496 1.00 10.00 H new ATOM 0 HA THR A 13 -9.011 -7.734 -8.343 1.00 10.00 H new ATOM 0 HB THR A 13 -8.834 -10.690 -8.773 1.00 10.00 H new ATOM 0 HG1 THR A 13 -7.354 -10.188 -10.553 1.00 10.00 H new ATOM 0 HG21 THR A 13 -9.638 -10.099 -11.048 1.00 10.00 H new ATOM 0 HG22 THR A 13 -10.722 -9.476 -9.782 1.00 10.00 H new ATOM 0 HG23 THR A 13 -9.593 -8.375 -10.606 1.00 10.00 H new ATOM 200 N CYS A 14 -9.583 -8.856 -5.668 1.00 10.00 N ATOM 201 CA CYS A 14 -10.445 -9.277 -4.591 1.00 10.00 C ATOM 202 C CYS A 14 -10.473 -8.180 -3.523 1.00 10.00 C ATOM 203 O CYS A 14 -9.435 -7.613 -3.179 1.00 10.00 O ATOM 204 CB CYS A 14 -9.988 -10.629 -4.010 1.00 10.00 C ATOM 205 SG CYS A 14 -9.158 -11.788 -5.133 1.00 10.00 S ATOM 0 H CYS A 14 -8.768 -8.331 -5.351 1.00 10.00 H new ATOM 0 HA CYS A 14 -11.456 -9.428 -4.969 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -9.314 -10.426 -3.178 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -10.863 -11.130 -3.597 1.00 10.00 H new ATOM 0 HG CYS A 14 -7.873 -11.599 -5.080 1.00 10.00 H new ATOM 210 N ALA A 15 -11.639 -7.904 -2.940 1.00 10.00 N ATOM 211 CA ALA A 15 -11.716 -6.970 -1.823 1.00 10.00 C ATOM 212 C ALA A 15 -10.801 -7.435 -0.682 1.00 10.00 C ATOM 213 O ALA A 15 -10.076 -6.642 -0.087 1.00 10.00 O ATOM 214 CB ALA A 15 -13.168 -6.829 -1.360 1.00 10.00 C ATOM 0 H ALA A 15 -12.532 -8.309 -3.220 1.00 10.00 H new ATOM 0 HA ALA A 15 -11.370 -5.988 -2.146 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -13.217 -6.130 -0.525 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.778 -6.456 -2.183 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -13.544 -7.801 -1.042 1.00 10.00 H new ATOM 220 N ALA A 16 -10.816 -8.742 -0.397 1.00 10.00 N ATOM 221 CA ALA A 16 -9.978 -9.357 0.626 1.00 10.00 C ATOM 222 C ALA A 16 -8.486 -9.195 0.315 1.00 10.00 C ATOM 223 O ALA A 16 -7.685 -8.965 1.223 1.00 10.00 O ATOM 224 CB ALA A 16 -10.344 -10.836 0.761 1.00 10.00 C ATOM 0 H ALA A 16 -11.420 -9.407 -0.880 1.00 10.00 H new ATOM 0 HA ALA A 16 -10.163 -8.848 1.572 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -9.719 -11.297 1.525 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -11.392 -10.927 1.046 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -10.183 -11.339 -0.192 1.00 10.00 H new ATOM 230 N CYS A 17 -8.113 -9.319 -0.963 1.00 10.00 N ATOM 231 CA CYS A 17 -6.754 -9.087 -1.427 1.00 10.00 C ATOM 232 C CYS A 17 -6.349 -7.686 -1.011 1.00 10.00 C ATOM 233 O CYS A 17 -5.349 -7.515 -0.315 1.00 10.00 O ATOM 234 CB CYS A 17 -6.667 -9.246 -2.952 1.00 10.00 C ATOM 235 SG CYS A 17 -6.535 -10.962 -3.509 1.00 10.00 S ATOM 0 H CYS A 17 -8.758 -9.586 -1.707 1.00 10.00 H new ATOM 0 HA CYS A 17 -6.078 -9.819 -0.984 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -7.550 -8.795 -3.405 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -5.803 -8.690 -3.316 1.00 10.00 H new ATOM 0 HG CYS A 17 -7.712 -11.515 -3.495 1.00 10.00 H new ATOM 240 N ALA A 18 -7.147 -6.702 -1.422 1.00 10.00 N ATOM 241 CA ALA A 18 -6.903 -5.310 -1.091 1.00 10.00 C ATOM 242 C ALA A 18 -6.781 -5.132 0.432 1.00 10.00 C ATOM 243 O ALA A 18 -5.791 -4.602 0.936 1.00 10.00 O ATOM 244 CB ALA A 18 -7.995 -4.439 -1.716 1.00 10.00 C ATOM 0 H ALA A 18 -7.979 -6.853 -1.993 1.00 10.00 H new ATOM 0 HA ALA A 18 -5.951 -4.985 -1.511 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -7.813 -3.393 -1.468 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -7.984 -4.562 -2.799 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -8.968 -4.740 -1.327 1.00 10.00 H new ATOM 250 N ASN A 19 -7.763 -5.636 1.180 1.00 10.00 N ATOM 251 CA ASN A 19 -7.776 -5.581 2.639 1.00 10.00 C ATOM 252 C ASN A 19 -6.475 -6.125 3.246 1.00 10.00 C ATOM 253 O ASN A 19 -5.943 -5.565 4.204 1.00 10.00 O ATOM 254 CB ASN A 19 -8.987 -6.350 3.167 1.00 10.00 C ATOM 255 CG ASN A 19 -9.138 -6.189 4.675 1.00 10.00 C ATOM 256 OD1 ASN A 19 -8.558 -6.945 5.448 1.00 10.00 O ATOM 257 ND2 ASN A 19 -9.941 -5.221 5.107 1.00 10.00 N ATOM 0 H ASN A 19 -8.581 -6.099 0.783 1.00 10.00 H new ATOM 0 HA ASN A 19 -7.851 -4.536 2.941 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -9.890 -5.995 2.670 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -8.883 -7.407 2.922 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -10.090 -5.090 6.108 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -10.408 -4.609 4.438 1.00 10.00 H new ATOM 264 N ARG A 20 -5.931 -7.206 2.677 1.00 10.00 N ATOM 265 CA ARG A 20 -4.652 -7.756 3.104 1.00 10.00 C ATOM 266 C ARG A 20 -3.549 -6.702 2.978 1.00 10.00 C ATOM 267 O ARG A 20 -2.687 -6.591 3.855 1.00 10.00 O ATOM 268 CB ARG A 20 -4.310 -9.003 2.273 1.00 10.00 C ATOM 269 CG ARG A 20 -4.108 -10.253 3.129 1.00 10.00 C ATOM 270 CD ARG A 20 -5.446 -10.771 3.676 1.00 10.00 C ATOM 271 NE ARG A 20 -5.298 -12.101 4.290 1.00 10.00 N ATOM 272 CZ ARG A 20 -5.159 -13.252 3.612 1.00 10.00 C ATOM 273 NH1 ARG A 20 -5.178 -13.246 2.275 1.00 10.00 N ATOM 274 NH2 ARG A 20 -4.992 -14.403 4.275 1.00 10.00 N ATOM 0 H ARG A 20 -6.368 -7.718 1.911 1.00 10.00 H new ATOM 0 HA ARG A 20 -4.726 -8.048 4.152 1.00 10.00 H new ATOM 0 HB2 ARG A 20 -5.110 -9.186 1.556 1.00 10.00 H new ATOM 0 HB3 ARG A 20 -3.404 -8.813 1.698 1.00 10.00 H new ATOM 0 HG2 ARG A 20 -3.629 -11.031 2.535 1.00 10.00 H new ATOM 0 HG3 ARG A 20 -3.437 -10.026 3.957 1.00 10.00 H new ATOM 0 HD2 ARG A 20 -5.835 -10.069 4.414 1.00 10.00 H new ATOM 0 HD3 ARG A 20 -6.176 -10.821 2.868 1.00 10.00 H new ATOM 0 HE ARG A 20 -5.301 -12.152 5.309 1.00 10.00 H new ATOM 0 HH11 ARG A 20 -5.298 -12.368 1.771 1.00 10.00 H new ATOM 0 HH12 ARG A 20 -5.072 -14.120 1.760 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -4.970 -14.406 5.295 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -4.886 -15.277 3.760 1.00 10.00 H new ATOM 288 N ILE A 21 -3.579 -5.927 1.891 1.00 10.00 N ATOM 289 CA ILE A 21 -2.624 -4.846 1.682 1.00 10.00 C ATOM 290 C ILE A 21 -2.770 -3.834 2.811 1.00 10.00 C ATOM 291 O ILE A 21 -1.770 -3.469 3.424 1.00 10.00 O ATOM 292 CB ILE A 21 -2.756 -4.170 0.302 1.00 10.00 C ATOM 293 CG1 ILE A 21 -3.008 -5.212 -0.788 1.00 10.00 C ATOM 294 CG2 ILE A 21 -1.449 -3.437 -0.009 1.00 10.00 C ATOM 295 CD1 ILE A 21 -2.844 -4.708 -2.222 1.00 10.00 C ATOM 0 H ILE A 21 -4.261 -6.033 1.140 1.00 10.00 H new ATOM 0 HA ILE A 21 -1.623 -5.278 1.694 1.00 10.00 H new ATOM 0 HB ILE A 21 -3.596 -3.475 0.325 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -2.326 -6.048 -0.634 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -4.020 -5.600 -0.670 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -1.526 -2.953 -0.983 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -1.263 -2.684 0.757 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -0.626 -4.151 -0.023 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -3.044 -5.522 -2.919 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -3.545 -3.894 -2.404 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -1.825 -4.348 -2.367 1.00 10.00 H new ATOM 307 N GLU A 22 -4.003 -3.417 3.122 1.00 10.00 N ATOM 308 CA GLU A 22 -4.251 -2.510 4.238 1.00 10.00 C ATOM 309 C GLU A 22 -3.623 -3.070 5.510 1.00 10.00 C ATOM 310 O GLU A 22 -2.928 -2.356 6.227 1.00 10.00 O ATOM 311 CB GLU A 22 -5.747 -2.276 4.472 1.00 10.00 C ATOM 312 CG GLU A 22 -6.466 -1.803 3.215 1.00 10.00 C ATOM 313 CD GLU A 22 -7.902 -1.410 3.525 1.00 10.00 C ATOM 314 OE1 GLU A 22 -8.063 -0.451 4.309 1.00 10.00 O ATOM 315 OE2 GLU A 22 -8.804 -2.089 2.990 1.00 10.00 O ATOM 0 H GLU A 22 -4.842 -3.696 2.613 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.799 -1.552 3.983 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -6.206 -3.200 4.823 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.877 -1.536 5.261 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.936 -0.952 2.787 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.455 -2.595 2.466 1.00 10.00 H new ATOM 322 N LYS A 23 -3.872 -4.350 5.788 1.00 10.00 N ATOM 323 CA LYS A 23 -3.337 -5.046 6.949 1.00 10.00 C ATOM 324 C LYS A 23 -1.804 -4.935 7.000 1.00 10.00 C ATOM 325 O LYS A 23 -1.249 -4.504 8.012 1.00 10.00 O ATOM 326 CB LYS A 23 -3.818 -6.510 6.938 1.00 10.00 C ATOM 327 CG LYS A 23 -4.689 -6.918 8.139 1.00 10.00 C ATOM 328 CD LYS A 23 -3.867 -7.331 9.374 1.00 10.00 C ATOM 329 CE LYS A 23 -3.625 -6.199 10.385 1.00 10.00 C ATOM 330 NZ LYS A 23 -4.810 -5.933 11.232 1.00 10.00 N ATOM 0 H LYS A 23 -4.462 -4.939 5.200 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.711 -4.575 7.858 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -4.384 -6.684 6.023 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -2.946 -7.163 6.903 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -5.340 -6.086 8.406 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -5.334 -7.747 7.847 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -4.380 -8.149 9.879 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -2.903 -7.716 9.041 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -2.779 -6.459 11.021 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.354 -5.289 9.849 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -4.596 -5.162 11.896 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -5.612 -5.658 10.630 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -5.055 -6.791 11.765 1.00 10.00 H new ATOM 344 N ARG A 24 -1.114 -5.325 5.922 1.00 10.00 N ATOM 345 CA ARG A 24 0.344 -5.227 5.846 1.00 10.00 C ATOM 346 C ARG A 24 0.811 -3.781 6.010 1.00 10.00 C ATOM 347 O ARG A 24 1.738 -3.523 6.769 1.00 10.00 O ATOM 348 CB ARG A 24 0.873 -5.827 4.531 1.00 10.00 C ATOM 349 CG ARG A 24 1.397 -7.259 4.725 1.00 10.00 C ATOM 350 CD ARG A 24 2.846 -7.246 5.233 1.00 10.00 C ATOM 351 NE ARG A 24 3.368 -8.611 5.410 1.00 10.00 N ATOM 352 CZ ARG A 24 4.617 -8.904 5.808 1.00 10.00 C ATOM 353 NH1 ARG A 24 5.482 -7.915 6.067 1.00 10.00 N ATOM 354 NH2 ARG A 24 4.993 -10.180 5.955 1.00 10.00 N ATOM 0 H ARG A 24 -1.548 -5.714 5.085 1.00 10.00 H new ATOM 0 HA ARG A 24 0.756 -5.808 6.671 1.00 10.00 H new ATOM 0 HB2 ARG A 24 0.077 -5.829 3.787 1.00 10.00 H new ATOM 0 HB3 ARG A 24 1.673 -5.198 4.140 1.00 10.00 H new ATOM 0 HG2 ARG A 24 0.763 -7.790 5.435 1.00 10.00 H new ATOM 0 HG3 ARG A 24 1.343 -7.802 3.781 1.00 10.00 H new ATOM 0 HD2 ARG A 24 3.475 -6.703 4.527 1.00 10.00 H new ATOM 0 HD3 ARG A 24 2.895 -6.711 6.181 1.00 10.00 H new ATOM 0 HE ARG A 24 2.737 -9.389 5.217 1.00 10.00 H new ATOM 0 HH11 ARG A 24 5.192 -6.943 5.962 1.00 10.00 H new ATOM 0 HH12 ARG A 24 6.431 -8.134 6.369 1.00 10.00 H new ATOM 0 HH21 ARG A 24 4.331 -10.932 5.765 1.00 10.00 H new ATOM 0 HH22 ARG A 24 5.942 -10.400 6.257 1.00 10.00 H new ATOM 368 N LEU A 25 0.184 -2.839 5.309 1.00 10.00 N ATOM 369 CA LEU A 25 0.554 -1.433 5.384 1.00 10.00 C ATOM 370 C LEU A 25 0.397 -0.921 6.816 1.00 10.00 C ATOM 371 O LEU A 25 1.308 -0.302 7.348 1.00 10.00 O ATOM 372 CB LEU A 25 -0.258 -0.613 4.368 1.00 10.00 C ATOM 373 CG LEU A 25 0.213 -0.871 2.923 1.00 10.00 C ATOM 374 CD1 LEU A 25 -0.856 -0.475 1.901 1.00 10.00 C ATOM 375 CD2 LEU A 25 1.481 -0.066 2.620 1.00 10.00 C ATOM 0 H LEU A 25 -0.592 -3.031 4.676 1.00 10.00 H new ATOM 0 HA LEU A 25 1.605 -1.317 5.118 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.315 -0.866 4.457 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -0.164 0.448 4.598 1.00 10.00 H new ATOM 0 HG LEU A 25 0.411 -1.940 2.842 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.487 -0.671 0.894 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -1.760 -1.057 2.076 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.082 0.586 2.004 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.799 -0.260 1.596 1.00 10.00 H new ATOM 0 HD22 LEU A 25 1.274 0.997 2.740 1.00 10.00 H new ATOM 0 HD23 LEU A 25 2.273 -0.362 3.308 1.00 10.00 H new ATOM 387 N ASN A 26 -0.723 -1.232 7.470 1.00 10.00 N ATOM 388 CA ASN A 26 -0.958 -0.906 8.874 1.00 10.00 C ATOM 389 C ASN A 26 0.149 -1.473 9.763 1.00 10.00 C ATOM 390 O ASN A 26 0.513 -0.870 10.766 1.00 10.00 O ATOM 391 CB ASN A 26 -2.315 -1.450 9.330 1.00 10.00 C ATOM 392 CG ASN A 26 -3.445 -0.453 9.094 1.00 10.00 C ATOM 393 OD1 ASN A 26 -3.935 0.170 10.029 1.00 10.00 O ATOM 394 ND2 ASN A 26 -3.884 -0.304 7.850 1.00 10.00 N ATOM 0 H ASN A 26 -1.502 -1.724 7.032 1.00 10.00 H new ATOM 0 HA ASN A 26 -0.957 0.180 8.968 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.532 -2.375 8.796 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.267 -1.698 10.390 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.648 0.342 7.653 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.457 -0.836 7.091 1.00 10.00 H new ATOM 401 N LYS A 27 0.663 -2.652 9.411 1.00 10.00 N ATOM 402 CA LYS A 27 1.764 -3.292 10.121 1.00 10.00 C ATOM 403 C LYS A 27 3.085 -2.509 10.009 1.00 10.00 C ATOM 404 O LYS A 27 3.999 -2.787 10.781 1.00 10.00 O ATOM 405 CB LYS A 27 1.895 -4.746 9.638 1.00 10.00 C ATOM 406 CG LYS A 27 2.570 -5.682 10.650 1.00 10.00 C ATOM 407 CD LYS A 27 2.306 -7.142 10.249 1.00 10.00 C ATOM 408 CE LYS A 27 0.904 -7.617 10.675 1.00 10.00 C ATOM 409 NZ LYS A 27 0.919 -8.312 11.980 1.00 10.00 N ATOM 0 H LYS A 27 0.321 -3.193 8.616 1.00 10.00 H new ATOM 0 HA LYS A 27 1.535 -3.294 11.187 1.00 10.00 H new ATOM 0 HB2 LYS A 27 0.902 -5.132 9.408 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.466 -4.759 8.709 1.00 10.00 H new ATOM 0 HG2 LYS A 27 3.642 -5.490 10.681 1.00 10.00 H new ATOM 0 HG3 LYS A 27 2.183 -5.493 11.651 1.00 10.00 H new ATOM 0 HD2 LYS A 27 2.410 -7.245 9.169 1.00 10.00 H new ATOM 0 HD3 LYS A 27 3.060 -7.784 10.705 1.00 10.00 H new ATOM 0 HE2 LYS A 27 0.234 -6.759 10.730 1.00 10.00 H new ATOM 0 HE3 LYS A 27 0.503 -8.286 9.914 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 -0.046 -8.613 12.224 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 1.537 -9.146 11.922 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 1.276 -7.667 12.713 1.00 10.00 H new ATOM 423 N ILE A 28 3.218 -1.571 9.062 1.00 10.00 N ATOM 424 CA ILE A 28 4.391 -0.705 8.972 1.00 10.00 C ATOM 425 C ILE A 28 4.356 0.298 10.129 1.00 10.00 C ATOM 426 O ILE A 28 3.298 0.800 10.501 1.00 10.00 O ATOM 427 CB ILE A 28 4.426 0.034 7.621 1.00 10.00 C ATOM 428 CG1 ILE A 28 4.343 -0.879 6.393 1.00 10.00 C ATOM 429 CG2 ILE A 28 5.575 1.046 7.521 1.00 10.00 C ATOM 430 CD1 ILE A 28 5.707 -1.459 6.082 1.00 10.00 C ATOM 0 H ILE A 28 2.517 -1.395 8.342 1.00 10.00 H new ATOM 0 HA ILE A 28 5.293 -1.313 9.039 1.00 10.00 H new ATOM 0 HB ILE A 28 3.499 0.608 7.606 1.00 10.00 H new ATOM 0 HG12 ILE A 28 3.630 -1.683 6.576 1.00 10.00 H new ATOM 0 HG13 ILE A 28 3.975 -0.316 5.536 1.00 10.00 H new ATOM 0 HG21 ILE A 28 5.546 1.534 6.547 1.00 10.00 H new ATOM 0 HG22 ILE A 28 5.469 1.795 8.305 1.00 10.00 H new ATOM 0 HG23 ILE A 28 6.527 0.529 7.640 1.00 10.00 H new ATOM 0 HD11 ILE A 28 5.636 -2.106 5.208 1.00 10.00 H new ATOM 0 HD12 ILE A 28 6.409 -0.650 5.879 1.00 10.00 H new ATOM 0 HD13 ILE A 28 6.059 -2.039 6.935 1.00 10.00 H new ATOM 442 N GLU A 29 5.526 0.609 10.680 1.00 10.00 N ATOM 443 CA GLU A 29 5.672 1.530 11.794 1.00 10.00 C ATOM 444 C GLU A 29 5.713 2.970 11.266 1.00 10.00 C ATOM 445 O GLU A 29 6.415 3.258 10.300 1.00 10.00 O ATOM 446 CB GLU A 29 6.919 1.153 12.607 1.00 10.00 C ATOM 447 CG GLU A 29 6.858 -0.327 13.027 1.00 10.00 C ATOM 448 CD GLU A 29 7.932 -0.684 14.045 1.00 10.00 C ATOM 449 OE1 GLU A 29 7.753 -0.286 15.215 1.00 10.00 O ATOM 450 OE2 GLU A 29 8.897 -1.365 13.639 1.00 10.00 O ATOM 0 H GLU A 29 6.412 0.220 10.357 1.00 10.00 H new ATOM 0 HA GLU A 29 4.817 1.462 12.467 1.00 10.00 H new ATOM 0 HB2 GLU A 29 7.816 1.333 12.014 1.00 10.00 H new ATOM 0 HB3 GLU A 29 6.990 1.786 13.491 1.00 10.00 H new ATOM 0 HG2 GLU A 29 5.876 -0.543 13.448 1.00 10.00 H new ATOM 0 HG3 GLU A 29 6.972 -0.958 12.145 1.00 10.00 H new ATOM 457 N GLY A 30 4.921 3.864 11.867 1.00 10.00 N ATOM 458 CA GLY A 30 4.880 5.275 11.506 1.00 10.00 C ATOM 459 C GLY A 30 4.026 5.528 10.264 1.00 10.00 C ATOM 460 O GLY A 30 4.207 6.532 9.570 1.00 10.00 O ATOM 0 H GLY A 30 4.285 3.620 12.626 1.00 10.00 H new ATOM 0 HA2 GLY A 30 4.482 5.851 12.342 1.00 10.00 H new ATOM 0 HA3 GLY A 30 5.894 5.632 11.327 1.00 10.00 H new ATOM 464 N VAL A 31 3.065 4.634 10.011 1.00 10.00 N ATOM 465 CA VAL A 31 2.049 4.799 8.986 1.00 10.00 C ATOM 466 C VAL A 31 0.851 5.522 9.603 1.00 10.00 C ATOM 467 O VAL A 31 0.527 5.270 10.762 1.00 10.00 O ATOM 468 CB VAL A 31 1.693 3.424 8.392 1.00 10.00 C ATOM 469 CG1 VAL A 31 0.885 2.561 9.368 1.00 10.00 C ATOM 470 CG2 VAL A 31 0.935 3.552 7.066 1.00 10.00 C ATOM 0 H VAL A 31 2.976 3.759 10.528 1.00 10.00 H new ATOM 0 HA VAL A 31 2.410 5.410 8.158 1.00 10.00 H new ATOM 0 HB VAL A 31 2.644 2.926 8.203 1.00 10.00 H new ATOM 0 HG11 VAL A 31 0.658 1.601 8.903 1.00 10.00 H new ATOM 0 HG12 VAL A 31 1.466 2.396 10.275 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -0.045 3.071 9.620 1.00 10.00 H new ATOM 0 HG21 VAL A 31 0.704 2.559 6.682 1.00 10.00 H new ATOM 0 HG22 VAL A 31 0.009 4.103 7.228 1.00 10.00 H new ATOM 0 HG23 VAL A 31 1.553 4.085 6.344 1.00 10.00 H new ATOM 480 N ALA A 32 0.202 6.427 8.858 1.00 10.00 N ATOM 481 CA ALA A 32 -0.990 7.115 9.338 1.00 10.00 C ATOM 482 C ALA A 32 -2.235 6.376 8.854 1.00 10.00 C ATOM 483 O ALA A 32 -3.031 5.926 9.675 1.00 10.00 O ATOM 484 CB ALA A 32 -0.979 8.589 8.923 1.00 10.00 C ATOM 0 H ALA A 32 0.489 6.696 7.917 1.00 10.00 H new ATOM 0 HA ALA A 32 -1.001 7.107 10.428 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.880 9.078 9.294 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -0.101 9.079 9.343 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -0.949 8.661 7.836 1.00 10.00 H new ATOM 490 N ASN A 33 -2.410 6.219 7.536 1.00 10.00 N ATOM 491 CA ASN A 33 -3.559 5.496 6.995 1.00 10.00 C ATOM 492 C ASN A 33 -3.353 5.214 5.514 1.00 10.00 C ATOM 493 O ASN A 33 -2.972 6.101 4.766 1.00 10.00 O ATOM 494 CB ASN A 33 -4.893 6.225 7.240 1.00 10.00 C ATOM 495 CG ASN A 33 -4.886 7.727 6.949 1.00 10.00 C ATOM 496 OD1 ASN A 33 -5.242 8.518 7.815 1.00 10.00 O ATOM 497 ND2 ASN A 33 -4.509 8.151 5.747 1.00 10.00 N ATOM 0 H ASN A 33 -1.771 6.583 6.829 1.00 10.00 H new ATOM 0 HA ASN A 33 -3.626 4.550 7.532 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -5.661 5.757 6.624 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -5.183 6.075 8.280 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -4.513 9.148 5.534 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -4.216 7.479 5.038 1.00 10.00 H new ATOM 504 N ALA A 34 -3.595 3.974 5.099 1.00 10.00 N ATOM 505 CA ALA A 34 -3.250 3.438 3.796 1.00 10.00 C ATOM 506 C ALA A 34 -4.336 2.517 3.225 1.00 10.00 C ATOM 507 O ALA A 34 -4.046 1.366 2.896 1.00 10.00 O ATOM 508 CB ALA A 34 -1.923 2.701 3.981 1.00 10.00 C ATOM 0 H ALA A 34 -4.059 3.287 5.694 1.00 10.00 H new ATOM 0 HA ALA A 34 -3.162 4.242 3.066 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -1.609 2.273 3.029 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -1.164 3.400 4.332 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -2.049 1.904 4.714 1.00 10.00 H new ATOM 514 N PRO A 35 -5.582 2.996 3.095 1.00 10.00 N ATOM 515 CA PRO A 35 -6.673 2.199 2.568 1.00 10.00 C ATOM 516 C PRO A 35 -6.569 2.089 1.041 1.00 10.00 C ATOM 517 O PRO A 35 -6.497 3.104 0.346 1.00 10.00 O ATOM 518 CB PRO A 35 -7.935 2.934 3.019 1.00 10.00 C ATOM 519 CG PRO A 35 -7.504 4.402 3.026 1.00 10.00 C ATOM 520 CD PRO A 35 -6.054 4.314 3.496 1.00 10.00 C ATOM 0 HA PRO A 35 -6.667 1.171 2.929 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -8.766 2.762 2.335 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -8.261 2.606 4.006 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -7.584 4.854 2.037 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -8.114 5.002 3.701 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -5.449 5.100 3.044 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -5.986 4.441 4.576 1.00 10.00 H new ATOM 528 N VAL A 36 -6.545 0.862 0.509 1.00 10.00 N ATOM 529 CA VAL A 36 -6.528 0.607 -0.927 1.00 10.00 C ATOM 530 C VAL A 36 -7.949 0.595 -1.488 1.00 10.00 C ATOM 531 O VAL A 36 -8.889 0.200 -0.801 1.00 10.00 O ATOM 532 CB VAL A 36 -5.751 -0.683 -1.229 1.00 10.00 C ATOM 533 CG1 VAL A 36 -6.160 -1.857 -0.349 1.00 10.00 C ATOM 534 CG2 VAL A 36 -5.864 -1.098 -2.699 1.00 10.00 C ATOM 0 H VAL A 36 -6.537 0.012 1.073 1.00 10.00 H new ATOM 0 HA VAL A 36 -6.003 1.417 -1.433 1.00 10.00 H new ATOM 0 HB VAL A 36 -4.714 -0.436 -1.002 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -5.571 -2.735 -0.617 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -5.983 -1.607 0.697 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -7.218 -2.071 -0.497 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -5.298 -2.015 -2.863 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -6.911 -1.268 -2.950 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -5.463 -0.307 -3.332 1.00 10.00 H new ATOM 544 N ASN A 37 -8.107 1.029 -2.743 1.00 10.00 N ATOM 545 CA ASN A 37 -9.404 1.178 -3.382 1.00 10.00 C ATOM 546 C ASN A 37 -9.592 0.194 -4.542 1.00 10.00 C ATOM 547 O ASN A 37 -8.986 0.339 -5.607 1.00 10.00 O ATOM 548 CB ASN A 37 -9.547 2.613 -3.871 1.00 10.00 C ATOM 549 CG ASN A 37 -10.783 2.730 -4.742 1.00 10.00 C ATOM 550 OD1 ASN A 37 -11.860 2.261 -4.394 1.00 10.00 O ATOM 551 ND2 ASN A 37 -10.611 3.311 -5.917 1.00 10.00 N ATOM 0 H ASN A 37 -7.325 1.288 -3.344 1.00 10.00 H new ATOM 0 HA ASN A 37 -10.179 0.951 -2.650 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -9.622 3.292 -3.022 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -8.662 2.906 -4.436 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -11.391 3.381 -6.571 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -9.698 3.690 -6.170 1.00 10.00 H new ATOM 558 N PHE A 38 -10.503 -0.765 -4.359 1.00 10.00 N ATOM 559 CA PHE A 38 -10.857 -1.786 -5.338 1.00 10.00 C ATOM 560 C PHE A 38 -11.766 -1.198 -6.428 1.00 10.00 C ATOM 561 O PHE A 38 -12.924 -1.582 -6.558 1.00 10.00 O ATOM 562 CB PHE A 38 -11.522 -2.950 -4.583 1.00 10.00 C ATOM 563 CG PHE A 38 -11.866 -4.213 -5.359 1.00 10.00 C ATOM 564 CD1 PHE A 38 -11.027 -4.696 -6.383 1.00 10.00 C ATOM 565 CD2 PHE A 38 -12.992 -4.967 -4.977 1.00 10.00 C ATOM 566 CE1 PHE A 38 -11.320 -5.912 -7.021 1.00 10.00 C ATOM 567 CE2 PHE A 38 -13.275 -6.193 -5.606 1.00 10.00 C ATOM 568 CZ PHE A 38 -12.433 -6.670 -6.625 1.00 10.00 C ATOM 0 H PHE A 38 -11.032 -0.852 -3.491 1.00 10.00 H new ATOM 0 HA PHE A 38 -9.970 -2.157 -5.852 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -10.863 -3.234 -3.763 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -12.442 -2.574 -4.137 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -10.156 -4.129 -6.678 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -13.643 -4.602 -4.196 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -10.686 -6.266 -7.820 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -14.139 -6.767 -5.306 1.00 10.00 H new ATOM 0 HZ PHE A 38 -12.642 -7.616 -7.102 1.00 10.00 H new ATOM 578 N ALA A 39 -11.231 -0.252 -7.204 1.00 10.00 N ATOM 579 CA ALA A 39 -11.920 0.357 -8.340 1.00 10.00 C ATOM 580 C ALA A 39 -10.952 1.124 -9.242 1.00 10.00 C ATOM 581 O ALA A 39 -10.944 0.920 -10.451 1.00 10.00 O ATOM 582 CB ALA A 39 -13.050 1.270 -7.851 1.00 10.00 C ATOM 0 H ALA A 39 -10.292 0.117 -7.057 1.00 10.00 H new ATOM 0 HA ALA A 39 -12.353 -0.445 -8.937 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -13.554 1.716 -8.708 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -13.766 0.685 -7.273 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -12.635 2.058 -7.223 1.00 10.00 H new ATOM 588 N LEU A 40 -10.134 2.004 -8.656 1.00 10.00 N ATOM 589 CA LEU A 40 -9.117 2.779 -9.380 1.00 10.00 C ATOM 590 C LEU A 40 -7.769 2.062 -9.317 1.00 10.00 C ATOM 591 O LEU A 40 -6.755 2.625 -9.722 1.00 10.00 O ATOM 592 CB LEU A 40 -8.963 4.194 -8.794 1.00 10.00 C ATOM 593 CG LEU A 40 -10.244 4.960 -8.588 1.00 10.00 C ATOM 594 CD1 LEU A 40 -10.105 6.069 -7.534 1.00 10.00 C ATOM 595 CD2 LEU A 40 -10.762 5.538 -9.896 1.00 10.00 C ATOM 0 H LEU A 40 -10.158 2.202 -7.656 1.00 10.00 H new ATOM 0 HA LEU A 40 -9.445 2.867 -10.416 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -8.450 4.116 -7.836 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -8.318 4.773 -9.455 1.00 10.00 H new ATOM 0 HG LEU A 40 -10.971 4.241 -8.212 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -11.057 6.589 -7.425 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -9.821 5.629 -6.578 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.339 6.777 -7.850 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -11.687 6.084 -9.711 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -10.018 6.216 -10.314 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -10.953 4.729 -10.601 1.00 10.00 H new ATOM 607 N GLU A 41 -7.774 0.858 -8.738 1.00 10.00 N ATOM 608 CA GLU A 41 -6.634 -0.041 -8.583 1.00 10.00 C ATOM 609 C GLU A 41 -5.422 0.699 -8.011 1.00 10.00 C ATOM 610 O GLU A 41 -4.272 0.480 -8.382 1.00 10.00 O ATOM 611 CB GLU A 41 -6.393 -0.854 -9.869 1.00 10.00 C ATOM 612 CG GLU A 41 -6.263 -0.056 -11.179 1.00 10.00 C ATOM 613 CD GLU A 41 -6.166 -0.952 -12.413 1.00 10.00 C ATOM 614 OE1 GLU A 41 -6.429 -2.167 -12.270 1.00 10.00 O ATOM 615 OE2 GLU A 41 -5.889 -0.390 -13.495 1.00 10.00 O ATOM 0 H GLU A 41 -8.627 0.464 -8.342 1.00 10.00 H new ATOM 0 HA GLU A 41 -6.856 -0.798 -7.831 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -5.483 -1.439 -9.736 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -7.214 -1.562 -9.982 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -7.123 0.605 -11.283 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -5.378 0.578 -11.126 1.00 10.00 H new ATOM 622 N THR A 42 -5.724 1.582 -7.058 1.00 10.00 N ATOM 623 CA THR A 42 -4.801 2.522 -6.449 1.00 10.00 C ATOM 624 C THR A 42 -4.949 2.443 -4.928 1.00 10.00 C ATOM 625 O THR A 42 -6.038 2.149 -4.426 1.00 10.00 O ATOM 626 CB THR A 42 -5.110 3.934 -6.981 1.00 10.00 C ATOM 627 OG1 THR A 42 -4.833 4.028 -8.365 1.00 10.00 O ATOM 628 CG2 THR A 42 -4.312 5.038 -6.291 1.00 10.00 C ATOM 0 H THR A 42 -6.667 1.659 -6.676 1.00 10.00 H new ATOM 0 HA THR A 42 -3.768 2.281 -6.702 1.00 10.00 H new ATOM 0 HB THR A 42 -6.170 4.081 -6.772 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.528 3.557 -8.870 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.583 6.004 -6.718 1.00 10.00 H new ATOM 0 HG22 THR A 42 -4.537 5.037 -5.224 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.246 4.862 -6.437 1.00 10.00 H new ATOM 636 N VAL A 43 -3.864 2.726 -4.202 1.00 10.00 N ATOM 637 CA VAL A 43 -3.879 2.974 -2.765 1.00 10.00 C ATOM 638 C VAL A 43 -3.316 4.357 -2.473 1.00 10.00 C ATOM 639 O VAL A 43 -2.340 4.755 -3.105 1.00 10.00 O ATOM 640 CB VAL A 43 -3.100 1.881 -2.019 1.00 10.00 C ATOM 641 CG1 VAL A 43 -1.639 1.785 -2.472 1.00 10.00 C ATOM 642 CG2 VAL A 43 -3.125 2.086 -0.500 1.00 10.00 C ATOM 0 H VAL A 43 -2.931 2.790 -4.610 1.00 10.00 H new ATOM 0 HA VAL A 43 -4.908 2.943 -2.408 1.00 10.00 H new ATOM 0 HB VAL A 43 -3.611 0.951 -2.268 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.136 0.997 -1.912 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.603 1.554 -3.537 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.138 2.736 -2.290 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -2.561 1.289 -0.016 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.676 3.048 -0.255 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -4.156 2.067 -0.147 1.00 10.00 H new ATOM 652 N THR A 44 -3.934 5.044 -1.509 1.00 10.00 N ATOM 653 CA THR A 44 -3.582 6.367 -1.018 1.00 10.00 C ATOM 654 C THR A 44 -2.950 6.184 0.366 1.00 10.00 C ATOM 655 O THR A 44 -3.659 6.105 1.370 1.00 10.00 O ATOM 656 CB THR A 44 -4.881 7.192 -0.938 1.00 10.00 C ATOM 657 OG1 THR A 44 -5.687 6.955 -2.079 1.00 10.00 O ATOM 658 CG2 THR A 44 -4.652 8.693 -0.807 1.00 10.00 C ATOM 0 H THR A 44 -4.745 4.661 -1.023 1.00 10.00 H new ATOM 0 HA THR A 44 -2.876 6.885 -1.666 1.00 10.00 H new ATOM 0 HB THR A 44 -5.381 6.859 -0.029 1.00 10.00 H new ATOM 0 HG1 THR A 44 -6.509 7.484 -2.014 1.00 10.00 H new ATOM 0 HG21 THR A 44 -5.613 9.205 -0.757 1.00 10.00 H new ATOM 0 HG22 THR A 44 -4.084 8.897 0.101 1.00 10.00 H new ATOM 0 HG23 THR A 44 -4.094 9.053 -1.672 1.00 10.00 H new ATOM 666 N VAL A 45 -1.627 6.053 0.436 1.00 10.00 N ATOM 667 CA VAL A 45 -0.915 5.893 1.690 1.00 10.00 C ATOM 668 C VAL A 45 -0.632 7.269 2.270 1.00 10.00 C ATOM 669 O VAL A 45 -0.067 8.115 1.582 1.00 10.00 O ATOM 670 CB VAL A 45 0.363 5.084 1.445 1.00 10.00 C ATOM 671 CG1 VAL A 45 1.160 4.815 2.727 1.00 10.00 C ATOM 672 CG2 VAL A 45 -0.037 3.744 0.824 1.00 10.00 C ATOM 0 H VAL A 45 -1.020 6.056 -0.384 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.513 5.342 2.416 1.00 10.00 H new ATOM 0 HB VAL A 45 1.006 5.668 0.786 1.00 10.00 H new ATOM 0 HG11 VAL A 45 2.053 4.238 2.486 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.451 5.763 3.180 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.543 4.253 3.428 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.856 3.148 0.639 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.696 3.208 1.508 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.557 3.920 -0.118 1.00 10.00 H new ATOM 682 N GLU A 46 -0.995 7.470 3.539 1.00 10.00 N ATOM 683 CA GLU A 46 -0.519 8.602 4.321 1.00 10.00 C ATOM 684 C GLU A 46 0.407 8.055 5.409 1.00 10.00 C ATOM 685 O GLU A 46 0.022 7.134 6.139 1.00 10.00 O ATOM 686 CB GLU A 46 -1.667 9.467 4.876 1.00 10.00 C ATOM 687 CG GLU A 46 -1.269 10.958 4.851 1.00 10.00 C ATOM 688 CD GLU A 46 -1.913 11.814 5.936 1.00 10.00 C ATOM 689 OE1 GLU A 46 -3.133 11.648 6.144 1.00 10.00 O ATOM 690 OE2 GLU A 46 -1.164 12.630 6.534 1.00 10.00 O ATOM 0 H GLU A 46 -1.626 6.851 4.048 1.00 10.00 H new ATOM 0 HA GLU A 46 0.039 9.287 3.683 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.568 9.313 4.282 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -1.902 9.162 5.896 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -0.186 11.031 4.946 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -1.532 11.373 3.878 1.00 10.00 H new ATOM 697 N TYR A 47 1.634 8.577 5.485 1.00 10.00 N ATOM 698 CA TYR A 47 2.638 8.190 6.470 1.00 10.00 C ATOM 699 C TYR A 47 3.661 9.310 6.605 1.00 10.00 C ATOM 700 O TYR A 47 3.591 10.289 5.872 1.00 10.00 O ATOM 701 CB TYR A 47 3.320 6.870 6.089 1.00 10.00 C ATOM 702 CG TYR A 47 4.294 6.914 4.927 1.00 10.00 C ATOM 703 CD1 TYR A 47 3.841 7.126 3.611 1.00 10.00 C ATOM 704 CD2 TYR A 47 5.665 6.707 5.167 1.00 10.00 C ATOM 705 CE1 TYR A 47 4.752 7.104 2.542 1.00 10.00 C ATOM 706 CE2 TYR A 47 6.575 6.708 4.100 1.00 10.00 C ATOM 707 CZ TYR A 47 6.122 6.921 2.790 1.00 10.00 C ATOM 708 OH TYR A 47 7.029 7.246 1.830 1.00 10.00 O ATOM 0 H TYR A 47 1.962 9.300 4.844 1.00 10.00 H new ATOM 0 HA TYR A 47 2.146 8.029 7.429 1.00 10.00 H new ATOM 0 HB2 TYR A 47 3.852 6.497 6.964 1.00 10.00 H new ATOM 0 HB3 TYR A 47 2.544 6.142 5.854 1.00 10.00 H new ATOM 0 HD1 TYR A 47 2.793 7.306 3.423 1.00 10.00 H new ATOM 0 HD2 TYR A 47 6.017 6.547 6.175 1.00 10.00 H new ATOM 0 HE1 TYR A 47 4.399 7.228 1.529 1.00 10.00 H new ATOM 0 HE2 TYR A 47 7.626 6.545 4.287 1.00 10.00 H new ATOM 0 HH TYR A 47 7.095 8.221 1.759 1.00 10.00 H new ATOM 718 N ASN A 48 4.611 9.179 7.533 1.00 10.00 N ATOM 719 CA ASN A 48 5.619 10.208 7.771 1.00 10.00 C ATOM 720 C ASN A 48 6.992 9.748 7.262 1.00 10.00 C ATOM 721 O ASN A 48 7.451 8.686 7.688 1.00 10.00 O ATOM 722 CB ASN A 48 5.673 10.555 9.261 1.00 10.00 C ATOM 723 CG ASN A 48 6.526 11.800 9.471 1.00 10.00 C ATOM 724 OD1 ASN A 48 6.020 12.915 9.428 1.00 10.00 O ATOM 725 ND2 ASN A 48 7.830 11.634 9.666 1.00 10.00 N ATOM 0 H ASN A 48 4.701 8.361 8.136 1.00 10.00 H new ATOM 0 HA ASN A 48 5.343 11.106 7.218 1.00 10.00 H new ATOM 0 HB2 ASN A 48 4.666 10.725 9.641 1.00 10.00 H new ATOM 0 HB3 ASN A 48 6.089 9.719 9.824 1.00 10.00 H new ATOM 0 HD21 ASN A 48 8.435 12.446 9.784 1.00 10.00 H new ATOM 0 HD22 ASN A 48 8.225 10.694 9.697 1.00 10.00 H new ATOM 732 N PRO A 49 7.682 10.523 6.405 1.00 10.00 N ATOM 733 CA PRO A 49 8.956 10.143 5.796 1.00 10.00 C ATOM 734 C PRO A 49 10.128 10.274 6.779 1.00 10.00 C ATOM 735 O PRO A 49 11.135 10.916 6.485 1.00 10.00 O ATOM 736 CB PRO A 49 9.113 11.071 4.582 1.00 10.00 C ATOM 737 CG PRO A 49 8.356 12.329 4.998 1.00 10.00 C ATOM 738 CD PRO A 49 7.207 11.777 5.842 1.00 10.00 C ATOM 0 HA PRO A 49 8.962 9.094 5.501 1.00 10.00 H new ATOM 0 HB2 PRO A 49 10.161 11.284 4.372 1.00 10.00 H new ATOM 0 HB3 PRO A 49 8.691 10.628 3.680 1.00 10.00 H new ATOM 0 HG2 PRO A 49 8.987 13.009 5.571 1.00 10.00 H new ATOM 0 HG3 PRO A 49 7.991 12.885 4.134 1.00 10.00 H new ATOM 0 HD2 PRO A 49 6.932 12.478 6.630 1.00 10.00 H new ATOM 0 HD3 PRO A 49 6.318 11.618 5.232 1.00 10.00 H new ATOM 746 N LYS A 50 10.014 9.660 7.958 1.00 10.00 N ATOM 747 CA LYS A 50 11.070 9.631 8.956 1.00 10.00 C ATOM 748 C LYS A 50 10.885 8.419 9.880 1.00 10.00 C ATOM 749 O LYS A 50 11.370 8.429 11.007 1.00 10.00 O ATOM 750 CB LYS A 50 11.065 10.984 9.697 1.00 10.00 C ATOM 751 CG LYS A 50 12.462 11.547 10.007 1.00 10.00 C ATOM 752 CD LYS A 50 12.926 11.201 11.427 1.00 10.00 C ATOM 753 CE LYS A 50 14.380 11.635 11.651 1.00 10.00 C ATOM 754 NZ LYS A 50 14.817 11.357 13.034 1.00 10.00 N ATOM 0 H LYS A 50 9.171 9.163 8.245 1.00 10.00 H new ATOM 0 HA LYS A 50 12.052 9.507 8.499 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.519 11.711 9.096 1.00 10.00 H new ATOM 0 HB3 LYS A 50 10.518 10.869 10.633 1.00 10.00 H new ATOM 0 HG2 LYS A 50 13.179 11.152 9.287 1.00 10.00 H new ATOM 0 HG3 LYS A 50 12.450 12.630 9.885 1.00 10.00 H new ATOM 0 HD2 LYS A 50 12.280 11.692 12.154 1.00 10.00 H new ATOM 0 HD3 LYS A 50 12.834 10.128 11.592 1.00 10.00 H new ATOM 0 HE2 LYS A 50 15.030 11.111 10.950 1.00 10.00 H new ATOM 0 HE3 LYS A 50 14.480 12.700 11.443 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 15.804 11.662 13.154 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 14.211 11.876 13.701 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 14.744 10.337 13.223 1.00 10.00 H new ATOM 768 N GLU A 51 10.191 7.385 9.393 1.00 10.00 N ATOM 769 CA GLU A 51 9.913 6.150 10.110 1.00 10.00 C ATOM 770 C GLU A 51 10.031 5.014 9.097 1.00 10.00 C ATOM 771 O GLU A 51 10.920 4.170 9.190 1.00 10.00 O ATOM 772 CB GLU A 51 8.495 6.210 10.701 1.00 10.00 C ATOM 773 CG GLU A 51 8.444 6.931 12.056 1.00 10.00 C ATOM 774 CD GLU A 51 8.832 5.996 13.194 1.00 10.00 C ATOM 775 OE1 GLU A 51 7.974 5.153 13.536 1.00 10.00 O ATOM 776 OE2 GLU A 51 9.967 6.141 13.696 1.00 10.00 O ATOM 0 H GLU A 51 9.796 7.392 8.453 1.00 10.00 H new ATOM 0 HA GLU A 51 10.611 5.997 10.933 1.00 10.00 H new ATOM 0 HB2 GLU A 51 7.835 6.719 9.999 1.00 10.00 H new ATOM 0 HB3 GLU A 51 8.113 5.196 10.820 1.00 10.00 H new ATOM 0 HG2 GLU A 51 9.118 7.788 12.040 1.00 10.00 H new ATOM 0 HG3 GLU A 51 7.440 7.318 12.227 1.00 10.00 H new ATOM 783 N ALA A 52 9.144 5.034 8.101 1.00 10.00 N ATOM 784 CA ALA A 52 9.084 4.079 7.014 1.00 10.00 C ATOM 785 C ALA A 52 9.454 4.775 5.708 1.00 10.00 C ATOM 786 O ALA A 52 9.673 5.987 5.680 1.00 10.00 O ATOM 787 CB ALA A 52 7.657 3.542 6.950 1.00 10.00 C ATOM 0 H ALA A 52 8.421 5.750 8.035 1.00 10.00 H new ATOM 0 HA ALA A 52 9.784 3.258 7.172 1.00 10.00 H new ATOM 0 HB1 ALA A 52 7.577 2.818 6.139 1.00 10.00 H new ATOM 0 HB2 ALA A 52 7.407 3.059 7.894 1.00 10.00 H new ATOM 0 HB3 ALA A 52 6.966 4.366 6.770 1.00 10.00 H new ATOM 793 N SER A 53 9.505 4.003 4.624 1.00 10.00 N ATOM 794 CA SER A 53 9.778 4.475 3.283 1.00 10.00 C ATOM 795 C SER A 53 8.909 3.729 2.278 1.00 10.00 C ATOM 796 O SER A 53 8.630 2.539 2.434 1.00 10.00 O ATOM 797 CB SER A 53 11.257 4.263 2.973 1.00 10.00 C ATOM 798 OG SER A 53 11.665 2.968 3.376 1.00 10.00 O ATOM 0 H SER A 53 9.351 2.996 4.665 1.00 10.00 H new ATOM 0 HA SER A 53 9.544 5.537 3.212 1.00 10.00 H new ATOM 0 HB2 SER A 53 11.433 4.391 1.905 1.00 10.00 H new ATOM 0 HB3 SER A 53 11.854 5.016 3.487 1.00 10.00 H new ATOM 0 HG SER A 53 12.615 2.845 3.170 1.00 10.00 H new ATOM 804 N VAL A 54 8.531 4.436 1.212 1.00 10.00 N ATOM 805 CA VAL A 54 7.749 3.895 0.112 1.00 10.00 C ATOM 806 C VAL A 54 8.340 2.567 -0.382 1.00 10.00 C ATOM 807 O VAL A 54 7.621 1.586 -0.537 1.00 10.00 O ATOM 808 CB VAL A 54 7.566 4.967 -0.982 1.00 10.00 C ATOM 809 CG1 VAL A 54 8.881 5.504 -1.566 1.00 10.00 C ATOM 810 CG2 VAL A 54 6.671 4.475 -2.124 1.00 10.00 C ATOM 0 H VAL A 54 8.768 5.421 1.092 1.00 10.00 H new ATOM 0 HA VAL A 54 6.745 3.643 0.455 1.00 10.00 H new ATOM 0 HB VAL A 54 7.081 5.795 -0.465 1.00 10.00 H new ATOM 0 HG11 VAL A 54 8.662 6.252 -2.328 1.00 10.00 H new ATOM 0 HG12 VAL A 54 9.474 5.957 -0.771 1.00 10.00 H new ATOM 0 HG13 VAL A 54 9.442 4.684 -2.014 1.00 10.00 H new ATOM 0 HG21 VAL A 54 6.570 5.262 -2.872 1.00 10.00 H new ATOM 0 HG22 VAL A 54 7.119 3.594 -2.583 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.687 4.219 -1.731 1.00 10.00 H new ATOM 820 N SER A 55 9.660 2.513 -0.586 1.00 10.00 N ATOM 821 CA SER A 55 10.323 1.318 -1.098 1.00 10.00 C ATOM 822 C SER A 55 10.201 0.117 -0.148 1.00 10.00 C ATOM 823 O SER A 55 10.169 -1.020 -0.618 1.00 10.00 O ATOM 824 CB SER A 55 11.793 1.615 -1.418 1.00 10.00 C ATOM 825 OG SER A 55 12.331 0.587 -2.228 1.00 10.00 O ATOM 0 H SER A 55 10.292 3.292 -0.401 1.00 10.00 H new ATOM 0 HA SER A 55 9.809 1.039 -2.018 1.00 10.00 H new ATOM 0 HB2 SER A 55 11.875 2.573 -1.931 1.00 10.00 H new ATOM 0 HB3 SER A 55 12.365 1.698 -0.494 1.00 10.00 H new ATOM 0 HG SER A 55 13.269 0.786 -2.429 1.00 10.00 H new ATOM 831 N ASP A 56 10.170 0.343 1.169 1.00 10.00 N ATOM 832 CA ASP A 56 10.050 -0.756 2.120 1.00 10.00 C ATOM 833 C ASP A 56 8.645 -1.340 2.010 1.00 10.00 C ATOM 834 O ASP A 56 8.457 -2.532 1.746 1.00 10.00 O ATOM 835 CB ASP A 56 10.334 -0.261 3.539 1.00 10.00 C ATOM 836 CG ASP A 56 9.974 -1.336 4.554 1.00 10.00 C ATOM 837 OD1 ASP A 56 10.831 -2.217 4.775 1.00 10.00 O ATOM 838 OD2 ASP A 56 8.835 -1.270 5.061 1.00 10.00 O ATOM 0 H ASP A 56 10.226 1.269 1.593 1.00 10.00 H new ATOM 0 HA ASP A 56 10.780 -1.533 1.892 1.00 10.00 H new ATOM 0 HB2 ASP A 56 11.387 0.002 3.636 1.00 10.00 H new ATOM 0 HB3 ASP A 56 9.760 0.644 3.738 1.00 10.00 H new ATOM 843 N LEU A 57 7.645 -0.466 2.144 1.00 10.00 N ATOM 844 CA LEU A 57 6.263 -0.904 2.069 1.00 10.00 C ATOM 845 C LEU A 57 5.969 -1.527 0.703 1.00 10.00 C ATOM 846 O LEU A 57 5.207 -2.487 0.614 1.00 10.00 O ATOM 847 CB LEU A 57 5.284 0.181 2.539 1.00 10.00 C ATOM 848 CG LEU A 57 5.287 1.512 1.779 1.00 10.00 C ATOM 849 CD1 LEU A 57 4.576 1.431 0.428 1.00 10.00 C ATOM 850 CD2 LEU A 57 4.564 2.592 2.597 1.00 10.00 C ATOM 0 H LEU A 57 7.770 0.534 2.303 1.00 10.00 H new ATOM 0 HA LEU A 57 6.100 -1.709 2.785 1.00 10.00 H new ATOM 0 HB2 LEU A 57 4.276 -0.231 2.492 1.00 10.00 H new ATOM 0 HB3 LEU A 57 5.493 0.392 3.588 1.00 10.00 H new ATOM 0 HG LEU A 57 6.337 1.756 1.617 1.00 10.00 H new ATOM 0 HD11 LEU A 57 4.612 2.404 -0.061 1.00 10.00 H new ATOM 0 HD12 LEU A 57 5.071 0.691 -0.200 1.00 10.00 H new ATOM 0 HD13 LEU A 57 3.537 1.140 0.581 1.00 10.00 H new ATOM 0 HD21 LEU A 57 4.573 3.533 2.046 1.00 10.00 H new ATOM 0 HD22 LEU A 57 3.533 2.285 2.774 1.00 10.00 H new ATOM 0 HD23 LEU A 57 5.072 2.726 3.552 1.00 10.00 H new ATOM 862 N LYS A 58 6.621 -1.038 -0.357 1.00 10.00 N ATOM 863 CA LYS A 58 6.517 -1.614 -1.687 1.00 10.00 C ATOM 864 C LYS A 58 6.843 -3.103 -1.593 1.00 10.00 C ATOM 865 O LYS A 58 6.045 -3.941 -2.002 1.00 10.00 O ATOM 866 CB LYS A 58 7.465 -0.853 -2.631 1.00 10.00 C ATOM 867 CG LYS A 58 7.288 -1.088 -4.132 1.00 10.00 C ATOM 868 CD LYS A 58 7.500 -2.557 -4.497 1.00 10.00 C ATOM 869 CE LYS A 58 7.998 -2.735 -5.936 1.00 10.00 C ATOM 870 NZ LYS A 58 8.303 -4.151 -6.223 1.00 10.00 N ATOM 0 H LYS A 58 7.237 -0.227 -0.308 1.00 10.00 H new ATOM 0 HA LYS A 58 5.510 -1.520 -2.093 1.00 10.00 H new ATOM 0 HB2 LYS A 58 7.349 0.214 -2.439 1.00 10.00 H new ATOM 0 HB3 LYS A 58 8.489 -1.115 -2.366 1.00 10.00 H new ATOM 0 HG2 LYS A 58 6.288 -0.777 -4.435 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.995 -0.469 -4.684 1.00 10.00 H new ATOM 0 HD2 LYS A 58 8.220 -2.999 -3.809 1.00 10.00 H new ATOM 0 HD3 LYS A 58 6.563 -3.099 -4.370 1.00 10.00 H new ATOM 0 HE2 LYS A 58 7.241 -2.375 -6.633 1.00 10.00 H new ATOM 0 HE3 LYS A 58 8.890 -2.129 -6.093 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 8.702 -4.233 -7.180 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 8.992 -4.505 -5.529 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 7.430 -4.713 -6.162 1.00 10.00 H new ATOM 884 N GLU A 59 8.016 -3.421 -1.044 1.00 10.00 N ATOM 885 CA GLU A 59 8.477 -4.795 -0.885 1.00 10.00 C ATOM 886 C GLU A 59 7.486 -5.596 -0.028 1.00 10.00 C ATOM 887 O GLU A 59 7.144 -6.725 -0.355 1.00 10.00 O ATOM 888 CB GLU A 59 9.910 -4.778 -0.324 1.00 10.00 C ATOM 889 CG GLU A 59 10.711 -6.049 -0.646 1.00 10.00 C ATOM 890 CD GLU A 59 10.486 -7.164 0.359 1.00 10.00 C ATOM 891 OE1 GLU A 59 10.834 -6.989 1.548 1.00 10.00 O ATOM 892 OE2 GLU A 59 10.003 -8.248 -0.036 1.00 10.00 O ATOM 0 H GLU A 59 8.675 -2.725 -0.696 1.00 10.00 H new ATOM 0 HA GLU A 59 8.513 -5.306 -1.847 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.439 -3.914 -0.726 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.866 -4.650 0.758 1.00 10.00 H new ATOM 0 HG2 GLU A 59 10.436 -6.403 -1.640 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.773 -5.804 -0.677 1.00 10.00 H new ATOM 899 N ALA A 60 6.974 -4.994 1.045 1.00 10.00 N ATOM 900 CA ALA A 60 5.984 -5.586 1.932 1.00 10.00 C ATOM 901 C ALA A 60 4.692 -5.942 1.190 1.00 10.00 C ATOM 902 O ALA A 60 4.091 -6.977 1.480 1.00 10.00 O ATOM 903 CB ALA A 60 5.706 -4.648 3.109 1.00 10.00 C ATOM 0 H ALA A 60 7.248 -4.052 1.326 1.00 10.00 H new ATOM 0 HA ALA A 60 6.393 -6.520 2.317 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.964 -5.100 3.767 1.00 10.00 H new ATOM 0 HB2 ALA A 60 6.628 -4.478 3.665 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.328 -3.697 2.735 1.00 10.00 H new ATOM 909 N VAL A 61 4.249 -5.102 0.248 1.00 10.00 N ATOM 910 CA VAL A 61 3.108 -5.424 -0.597 1.00 10.00 C ATOM 911 C VAL A 61 3.495 -6.515 -1.593 1.00 10.00 C ATOM 912 O VAL A 61 2.769 -7.495 -1.729 1.00 10.00 O ATOM 913 CB VAL A 61 2.547 -4.165 -1.278 1.00 10.00 C ATOM 914 CG1 VAL A 61 1.435 -4.550 -2.266 1.00 10.00 C ATOM 915 CG2 VAL A 61 1.990 -3.212 -0.208 1.00 10.00 C ATOM 0 H VAL A 61 4.669 -4.193 0.056 1.00 10.00 H new ATOM 0 HA VAL A 61 2.300 -5.815 0.022 1.00 10.00 H new ATOM 0 HB VAL A 61 3.346 -3.667 -1.827 1.00 10.00 H new ATOM 0 HG11 VAL A 61 1.045 -3.651 -2.743 1.00 10.00 H new ATOM 0 HG12 VAL A 61 1.839 -5.218 -3.027 1.00 10.00 H new ATOM 0 HG13 VAL A 61 0.631 -5.055 -1.730 1.00 10.00 H new ATOM 0 HG21 VAL A 61 1.592 -2.318 -0.689 1.00 10.00 H new ATOM 0 HG22 VAL A 61 1.195 -3.711 0.346 1.00 10.00 H new ATOM 0 HG23 VAL A 61 2.788 -2.930 0.479 1.00 10.00 H new ATOM 925 N ASP A 62 4.645 -6.375 -2.258 1.00 10.00 N ATOM 926 CA ASP A 62 5.148 -7.382 -3.188 1.00 10.00 C ATOM 927 C ASP A 62 5.155 -8.760 -2.512 1.00 10.00 C ATOM 928 O ASP A 62 4.714 -9.749 -3.093 1.00 10.00 O ATOM 929 CB ASP A 62 6.537 -6.980 -3.716 1.00 10.00 C ATOM 930 CG ASP A 62 6.642 -7.144 -5.227 1.00 10.00 C ATOM 931 OD1 ASP A 62 6.798 -8.291 -5.688 1.00 10.00 O ATOM 932 OD2 ASP A 62 6.616 -6.092 -5.910 1.00 10.00 O ATOM 0 H ASP A 62 5.251 -5.560 -2.165 1.00 10.00 H new ATOM 0 HA ASP A 62 4.486 -7.444 -4.052 1.00 10.00 H new ATOM 0 HB2 ASP A 62 6.740 -5.943 -3.449 1.00 10.00 H new ATOM 0 HB3 ASP A 62 7.300 -7.590 -3.231 1.00 10.00 H new ATOM 937 N LYS A 63 5.565 -8.807 -1.236 1.00 10.00 N ATOM 938 CA LYS A 63 5.561 -10.010 -0.416 1.00 10.00 C ATOM 939 C LYS A 63 4.205 -10.736 -0.386 1.00 10.00 C ATOM 940 O LYS A 63 4.174 -11.946 -0.178 1.00 10.00 O ATOM 941 CB LYS A 63 6.028 -9.645 1.004 1.00 10.00 C ATOM 942 CG LYS A 63 7.455 -10.129 1.285 1.00 10.00 C ATOM 943 CD LYS A 63 7.918 -9.640 2.668 1.00 10.00 C ATOM 944 CE LYS A 63 9.340 -10.110 3.010 1.00 10.00 C ATOM 945 NZ LYS A 63 10.372 -9.408 2.221 1.00 10.00 N ATOM 0 H LYS A 63 5.915 -7.986 -0.742 1.00 10.00 H new ATOM 0 HA LYS A 63 6.251 -10.720 -0.871 1.00 10.00 H new ATOM 0 HB2 LYS A 63 5.980 -8.564 1.134 1.00 10.00 H new ATOM 0 HB3 LYS A 63 5.347 -10.084 1.733 1.00 10.00 H new ATOM 0 HG2 LYS A 63 7.492 -11.218 1.245 1.00 10.00 H new ATOM 0 HG3 LYS A 63 8.131 -9.758 0.515 1.00 10.00 H new ATOM 0 HD2 LYS A 63 7.882 -8.551 2.696 1.00 10.00 H new ATOM 0 HD3 LYS A 63 7.226 -10.002 3.429 1.00 10.00 H new ATOM 0 HE2 LYS A 63 9.527 -9.949 4.072 1.00 10.00 H new ATOM 0 HE3 LYS A 63 9.418 -11.182 2.832 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 11.298 -9.852 2.388 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 10.136 -9.468 1.210 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 10.410 -8.409 2.509 1.00 10.00 H new ATOM 959 N LEU A 64 3.086 -10.024 -0.560 1.00 10.00 N ATOM 960 CA LEU A 64 1.759 -10.631 -0.600 1.00 10.00 C ATOM 961 C LEU A 64 1.490 -11.332 -1.938 1.00 10.00 C ATOM 962 O LEU A 64 0.646 -12.225 -1.982 1.00 10.00 O ATOM 963 CB LEU A 64 0.685 -9.571 -0.324 1.00 10.00 C ATOM 964 CG LEU A 64 0.674 -9.051 1.121 1.00 10.00 C ATOM 965 CD1 LEU A 64 -0.074 -7.715 1.173 1.00 10.00 C ATOM 966 CD2 LEU A 64 -0.034 -10.041 2.057 1.00 10.00 C ATOM 0 H LEU A 64 3.079 -9.011 -0.677 1.00 10.00 H new ATOM 0 HA LEU A 64 1.720 -11.392 0.179 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.838 -8.730 -1.000 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -0.294 -9.992 -0.555 1.00 10.00 H new ATOM 0 HG LEU A 64 1.707 -8.929 1.447 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -0.084 -7.343 2.198 1.00 10.00 H new ATOM 0 HD12 LEU A 64 0.427 -6.992 0.529 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -1.098 -7.858 0.829 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -0.028 -9.648 3.074 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -1.064 -10.180 1.728 1.00 10.00 H new ATOM 0 HD23 LEU A 64 0.486 -10.999 2.035 1.00 10.00 H new ATOM 978 N GLY A 65 2.178 -10.947 -3.021 1.00 10.00 N ATOM 979 CA GLY A 65 2.105 -11.623 -4.313 1.00 10.00 C ATOM 980 C GLY A 65 1.830 -10.641 -5.450 1.00 10.00 C ATOM 981 O GLY A 65 2.558 -10.608 -6.439 1.00 10.00 O ATOM 0 H GLY A 65 2.809 -10.145 -3.019 1.00 10.00 H new ATOM 0 HA2 GLY A 65 3.042 -12.147 -4.503 1.00 10.00 H new ATOM 0 HA3 GLY A 65 1.318 -12.377 -4.285 1.00 10.00 H new ATOM 985 N TYR A 66 0.754 -9.859 -5.326 1.00 10.00 N ATOM 986 CA TYR A 66 0.426 -8.822 -6.301 1.00 10.00 C ATOM 987 C TYR A 66 1.501 -7.734 -6.302 1.00 10.00 C ATOM 988 O TYR A 66 2.215 -7.559 -5.317 1.00 10.00 O ATOM 989 CB TYR A 66 -0.982 -8.251 -6.070 1.00 10.00 C ATOM 990 CG TYR A 66 -1.504 -8.309 -4.653 1.00 10.00 C ATOM 991 CD1 TYR A 66 -0.834 -7.610 -3.637 1.00 10.00 C ATOM 992 CD2 TYR A 66 -2.613 -9.118 -4.341 1.00 10.00 C ATOM 993 CE1 TYR A 66 -1.266 -7.732 -2.310 1.00 10.00 C ATOM 994 CE2 TYR A 66 -3.068 -9.203 -3.016 1.00 10.00 C ATOM 995 CZ TYR A 66 -2.407 -8.494 -2.005 1.00 10.00 C ATOM 996 OH TYR A 66 -2.857 -8.560 -0.723 1.00 10.00 O ATOM 0 H TYR A 66 0.092 -9.928 -4.553 1.00 10.00 H new ATOM 0 HA TYR A 66 0.412 -9.275 -7.293 1.00 10.00 H new ATOM 0 HB2 TYR A 66 -0.986 -7.210 -6.394 1.00 10.00 H new ATOM 0 HB3 TYR A 66 -1.679 -8.788 -6.714 1.00 10.00 H new ATOM 0 HD1 TYR A 66 0.011 -6.981 -3.877 1.00 10.00 H new ATOM 0 HD2 TYR A 66 -3.113 -9.673 -5.121 1.00 10.00 H new ATOM 0 HE1 TYR A 66 -0.721 -7.239 -1.519 1.00 10.00 H new ATOM 0 HE2 TYR A 66 -3.926 -9.814 -2.777 1.00 10.00 H new ATOM 0 HH TYR A 66 -3.716 -8.094 -0.653 1.00 10.00 H new ATOM 1006 N LYS A 67 1.624 -7.017 -7.422 1.00 10.00 N ATOM 1007 CA LYS A 67 2.681 -6.034 -7.627 1.00 10.00 C ATOM 1008 C LYS A 67 2.133 -4.633 -7.410 1.00 10.00 C ATOM 1009 O LYS A 67 0.924 -4.408 -7.450 1.00 10.00 O ATOM 1010 CB LYS A 67 3.324 -6.211 -9.013 1.00 10.00 C ATOM 1011 CG LYS A 67 4.326 -7.365 -8.929 1.00 10.00 C ATOM 1012 CD LYS A 67 4.700 -7.970 -10.291 1.00 10.00 C ATOM 1013 CE LYS A 67 5.835 -7.202 -10.982 1.00 10.00 C ATOM 1014 NZ LYS A 67 6.234 -7.849 -12.250 1.00 10.00 N ATOM 0 H LYS A 67 0.987 -7.106 -8.214 1.00 10.00 H new ATOM 0 HA LYS A 67 3.473 -6.191 -6.894 1.00 10.00 H new ATOM 0 HB2 LYS A 67 2.561 -6.423 -9.762 1.00 10.00 H new ATOM 0 HB3 LYS A 67 3.825 -5.293 -9.320 1.00 10.00 H new ATOM 0 HG2 LYS A 67 5.233 -7.010 -8.440 1.00 10.00 H new ATOM 0 HG3 LYS A 67 3.909 -8.149 -8.297 1.00 10.00 H new ATOM 0 HD2 LYS A 67 4.999 -9.009 -10.154 1.00 10.00 H new ATOM 0 HD3 LYS A 67 3.822 -7.974 -10.937 1.00 10.00 H new ATOM 0 HE2 LYS A 67 5.516 -6.179 -11.179 1.00 10.00 H new ATOM 0 HE3 LYS A 67 6.695 -7.145 -10.315 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 7.003 -7.304 -12.691 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 6.562 -8.817 -12.058 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 5.419 -7.881 -12.895 1.00 10.00 H new ATOM 1028 N LEU A 68 3.049 -3.702 -7.148 1.00 10.00 N ATOM 1029 CA LEU A 68 2.762 -2.327 -6.811 1.00 10.00 C ATOM 1030 C LEU A 68 3.849 -1.471 -7.444 1.00 10.00 C ATOM 1031 O LEU A 68 4.980 -1.933 -7.620 1.00 10.00 O ATOM 1032 CB LEU A 68 2.731 -2.176 -5.285 1.00 10.00 C ATOM 1033 CG LEU A 68 2.320 -0.793 -4.755 1.00 10.00 C ATOM 1034 CD1 LEU A 68 1.473 -0.961 -3.491 1.00 10.00 C ATOM 1035 CD2 LEU A 68 3.561 0.028 -4.372 1.00 10.00 C ATOM 0 H LEU A 68 4.049 -3.903 -7.168 1.00 10.00 H new ATOM 0 HA LEU A 68 1.789 -2.010 -7.187 1.00 10.00 H new ATOM 0 HB2 LEU A 68 2.043 -2.918 -4.880 1.00 10.00 H new ATOM 0 HB3 LEU A 68 3.721 -2.413 -4.896 1.00 10.00 H new ATOM 0 HG LEU A 68 1.760 -0.283 -5.539 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.182 0.020 -3.115 1.00 10.00 H new ATOM 0 HD12 LEU A 68 0.580 -1.540 -3.726 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.054 -1.483 -2.731 1.00 10.00 H new ATOM 0 HD21 LEU A 68 3.251 1.004 -3.999 1.00 10.00 H new ATOM 0 HD22 LEU A 68 4.119 -0.496 -3.596 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.195 0.160 -5.249 1.00 10.00 H new ATOM 1047 N LYS A 69 3.509 -0.231 -7.768 1.00 10.00 N ATOM 1048 CA LYS A 69 4.418 0.789 -8.261 1.00 10.00 C ATOM 1049 C LYS A 69 3.933 2.158 -7.801 1.00 10.00 C ATOM 1050 O LYS A 69 2.764 2.324 -7.466 1.00 10.00 O ATOM 1051 CB LYS A 69 4.501 0.776 -9.792 1.00 10.00 C ATOM 1052 CG LYS A 69 5.300 -0.409 -10.345 1.00 10.00 C ATOM 1053 CD LYS A 69 5.867 -0.012 -11.714 1.00 10.00 C ATOM 1054 CE LYS A 69 6.669 -1.154 -12.347 1.00 10.00 C ATOM 1055 NZ LYS A 69 7.324 -0.724 -13.601 1.00 10.00 N ATOM 0 H LYS A 69 2.549 0.104 -7.690 1.00 10.00 H new ATOM 0 HA LYS A 69 5.411 0.579 -7.863 1.00 10.00 H new ATOM 0 HB2 LYS A 69 3.492 0.749 -10.204 1.00 10.00 H new ATOM 0 HB3 LYS A 69 4.959 1.705 -10.132 1.00 10.00 H new ATOM 0 HG2 LYS A 69 6.107 -0.674 -9.662 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.661 -1.287 -10.439 1.00 10.00 H new ATOM 0 HD2 LYS A 69 5.050 0.271 -12.378 1.00 10.00 H new ATOM 0 HD3 LYS A 69 6.506 0.864 -11.603 1.00 10.00 H new ATOM 0 HE2 LYS A 69 7.423 -1.505 -11.643 1.00 10.00 H new ATOM 0 HE3 LYS A 69 6.007 -1.996 -12.551 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 7.859 -1.520 -14.004 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 6.601 -0.413 -14.281 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 7.973 0.063 -13.401 1.00 10.00 H new ATOM 1069 N LEU A 70 4.843 3.133 -7.804 1.00 10.00 N ATOM 1070 CA LEU A 70 4.525 4.517 -7.490 1.00 10.00 C ATOM 1071 C LEU A 70 3.575 5.095 -8.524 1.00 10.00 C ATOM 1072 O LEU A 70 3.640 4.750 -9.704 1.00 10.00 O ATOM 1073 CB LEU A 70 5.805 5.351 -7.332 1.00 10.00 C ATOM 1074 CG LEU A 70 5.638 6.884 -7.265 1.00 10.00 C ATOM 1075 CD1 LEU A 70 6.796 7.484 -6.458 1.00 10.00 C ATOM 1076 CD2 LEU A 70 5.655 7.554 -8.650 1.00 10.00 C ATOM 0 H LEU A 70 5.826 2.978 -8.026 1.00 10.00 H new ATOM 0 HA LEU A 70 4.010 4.551 -6.530 1.00 10.00 H new ATOM 0 HB2 LEU A 70 6.312 5.025 -6.424 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.466 5.118 -8.167 1.00 10.00 H new ATOM 0 HG LEU A 70 4.669 7.069 -6.802 1.00 10.00 H new ATOM 0 HD11 LEU A 70 6.682 8.567 -6.408 1.00 10.00 H new ATOM 0 HD12 LEU A 70 6.789 7.071 -5.449 1.00 10.00 H new ATOM 0 HD13 LEU A 70 7.742 7.241 -6.942 1.00 10.00 H new ATOM 0 HD21 LEU A 70 5.533 8.631 -8.535 1.00 10.00 H new ATOM 0 HD22 LEU A 70 6.605 7.347 -9.143 1.00 10.00 H new ATOM 0 HD23 LEU A 70 4.839 7.159 -9.255 1.00 10.00 H new ATOM 1088 N LYS A 71 2.721 5.998 -8.048 1.00 10.00 N ATOM 1089 CA LYS A 71 1.782 6.755 -8.856 1.00 10.00 C ATOM 1090 C LYS A 71 1.955 8.256 -8.613 1.00 10.00 C ATOM 1091 O LYS A 71 2.171 8.999 -9.568 1.00 10.00 O ATOM 1092 CB LYS A 71 0.362 6.245 -8.604 1.00 10.00 C ATOM 1093 CG LYS A 71 -0.665 6.663 -9.666 1.00 10.00 C ATOM 1094 CD LYS A 71 -1.907 7.170 -8.926 1.00 10.00 C ATOM 1095 CE LYS A 71 -3.174 7.232 -9.781 1.00 10.00 C ATOM 1096 NZ LYS A 71 -4.255 7.917 -9.039 1.00 10.00 N ATOM 0 H LYS A 71 2.666 6.227 -7.056 1.00 10.00 H new ATOM 0 HA LYS A 71 1.985 6.603 -9.916 1.00 10.00 H new ATOM 0 HB2 LYS A 71 0.385 5.157 -8.549 1.00 10.00 H new ATOM 0 HB3 LYS A 71 0.027 6.607 -7.632 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -0.257 7.442 -10.309 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -0.918 5.820 -10.308 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -2.093 6.522 -8.069 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -1.700 8.166 -8.534 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -2.969 7.762 -10.711 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -3.490 6.224 -10.051 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -4.761 8.561 -9.679 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -4.919 7.211 -8.662 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -3.846 8.461 -8.253 1.00 10.00 H new